Information card for entry 4021765

Structure parameters

• Common name: Osajaxanthone
• Formula: C18 H14 O5
• Calculated formula: C18 H14 O5
• SMILES: O1C(C=Cc2c(O)c3C(=O)c4cc(O)ccc4Oc3cc12)(C)C
• Title of publication: Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F
• Authors of publication: Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4992 - 4995
• a: 11.8863 ± 0.0014 Å
• b: 5.3819 ± 0.0007 Å
• c: 22.632 ± 0.003 Å
• α: 90°
• β: 101.436 ± 0.002°
• γ: 90°
• Cell volume: 1419 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No